2-(2-bromo-4-fluoro-6-methoxyphenyl)isoindole-1,3-dione

C15H9BrFNO3 — CID 168519363

IUPAC2-(2-bromo-4-fluoro-6-methoxyphenyl)isoindole-1,3-dione
SMILESCOc1cc(F)cc(Br)c1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H9BrFNO3/c1-21-12-7-8(17)6-11(16)13(12)18-14(19)9-4-2-3-5-10(9)15(18)20/h2-7H,1H3
InChIKeyWGQKHJFNWIGTTP-UHFFFAOYSA-N
MW350.14 g/mol
LogP3.40
Rot. Bonds2

About 2-(2-bromo-4-fluoro-6-methoxyphenyl)isoindole-1,3-dione

2-(2-bromo-4-fluoro-6-methoxyphenyl)isoindole-1,3-dione (PubChem CID 168519363) has the molecular formula C15H9BrFNO3 and a molecular weight of 350.14 g/mol. Its IUPAC name is 2-(2-bromo-4-fluoro-6-methoxyphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-bromo-4-fluoro-6-methoxyphenyl)isoindole-1,3-dione
PubChem CID168519363
Molecular FormulaC15H9BrFNO3
Molecular Weight350.14 g/mol
Exact Mass348.97
IUPAC Name2-(2-bromo-4-fluoro-6-methoxyphenyl)isoindole-1,3-dione
SMILESCOc1cc(F)cc(Br)c1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H9BrFNO3/c1-21-12-7-8(17)6-11(16)13(12)18-14(19)9-4-2-3-5-10(9)15(18)20/h2-7H,1H3
InChIKeyWGQKHJFNWIGTTP-UHFFFAOYSA-N
XLogP3.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.14
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(2-bromo-4-fluoro-6-methoxyphenyl)isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluoro-6-methoxyphenyl)isoindole-1,3-dione?
The IUPAC name of 2-(2-bromo-4-fluoro-6-methoxyphenyl)isoindole-1,3-dione (CID 168519363) is 2-(2-bromo-4-fluoro-6-methoxyphenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-bromo-4-fluoro-6-methoxyphenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-bromo-4-fluoro-6-methoxyphenyl)isoindole-1,3-dione is COc1cc(F)cc(Br)c1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(2-bromo-4-fluoro-6-methoxyphenyl)isoindole-1,3-dione?
The InChIKey is WGQKHJFNWIGTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrFNO3/c1-21-12-7-8(17)6-11(16)13(12)18-14(19)9-4-2-3-5-10(9)15(18)20/h2-7H,1H3.
What are the key properties of 2-(2-bromo-4-fluoro-6-methoxyphenyl)isoindole-1,3-dione?
2-(2-bromo-4-fluoro-6-methoxyphenyl)isoindole-1,3-dione has a molecular weight of 350.14 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluoro-6-methoxyphenyl)isoindole-1,3-dione is sourced from PubChem (CID 168519363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).